Structure of PDB 9bjy Chain A Binding Site BS01

Receptor Information
>9bjy Chain A (length=113) Species: 287 (Pseudomonas aeruginosa) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PTRIATNDRLSAAVCFDALVFLSGQVPGQAEDIHGQTREVLAKIDALLAE
AGSRKERILSATIYLKDIARDFAALNEVWTQWLPTGQAPSRTTVQAELAR
PSVLVEITVVAAR
Ligand information
Ligand IDTMO
InChIInChI=1S/C3H9NO/c1-4(2,3)5/h1-3H3
InChIKeyUYPYRKYUKCHHIB-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.370
OpenEye OEToolkits 1.7.0		C[N+](C)(C)[O-]
ACDLabs 12.01[O-][N+](C)(C)C
FormulaC3 H9 N O
Nametrimethylamine oxide
ChEMBL
DrugBank
ZINCZINC000000895494
PDB chain9bjy Chain A Residue 202 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB9bjy Structure of the RidA protein PA5083 from Pseudomonas aeruginosa with TMAO bound
Resolution1.58 Å
Binding residue
(original residue number in PDB)		T94 T95
Binding residue
(residue number reindexed from 1)		T92 T93
Annotation score1
External links